4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine

C9H16N4 — CID 154327448

IUPAC4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
SMILESCNC1(C)N=C(N)NC2=C1CCC2
InChIInChI=1S/C9H16N4/c1-9(11-2)6-4-3-5-7(6)12-8(10)13-9/h11H,3-5H2,1-2H3,(H3,10,12,13)
InChIKeyHXNADDWYUABPJP-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.28
Rot. Bonds1

About 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine

4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 154327448) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
PubChem CID154327448
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
SMILESCNC1(C)N=C(N)NC2=C1CCC2
InChIInChI=1S/C9H16N4/c1-9(11-2)6-4-3-5-7(6)12-8(10)13-9/h11H,3-5H2,1-2H3,(H3,10,12,13)
InChIKeyHXNADDWYUABPJP-UHFFFAOYSA-N
XLogP0.28
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine (CID 154327448) is 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine is CNC1(C)N=C(N)NC2=C1CCC2.
What is the InChIKey of 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is HXNADDWYUABPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(11-2)6-4-3-5-7(6)12-8(10)13-9/h11H,3-5H2,1-2H3,(H3,10,12,13).
What are the key properties of 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?
4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 154327448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).